CID 20696774

5-bromo-2-isobutyl-1,3-thiazole

Structural Information

Molecular Formula
C7H10BrNS
SMILES
CC(C)CC1=NC=C(S1)Br
InChI
InChI=1S/C7H10BrNS/c1-5(2)3-7-9-4-6(8)10-7/h4-5H,3H2,1-2H3
InChIKey
GMHHPYKEMBVLTD-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-methylpropyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

218.97173 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.97901 133.1
[M+Na]+ 241.96095 146.4
[M-H]- 217.96445 139.1
[M+NH4]+ 237.00555 156.9
[M+K]+ 257.93489 135.7
[M+H-H2O]+ 201.96899 133.8
[M+HCOO]- 263.96993 149.7
[M+CH3COO]- 277.98558 184.4
[M+Na-2H]- 239.94640 136.7
[M]+ 218.97118 154.2
[M]- 218.97228 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe